Agent Orange

CAS Registry Number®

39277-47-9

CAS Name

Agent Orange

Molecular Formula

C12H14Cl2O3.C12H13Cl3O3

Cite this Page

Agent Orange.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39277-47-9 (retrieved 2024-12-22) (CAS RN: 39277-47-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H13Cl3O3.C12H14Cl2O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15;1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h5-6H,2-4,7H2,1H3;4-5,7H,2-3,6,8H2,1H3

InChIKey

InChIKey=OLAOGBRYSBMLAO-UHFFFAOYSA-N

SMILES

O(CC(OCCCC)=O)C1=C(Cl)C=C(Cl)C=C1.O(CC(OCCCC)=O)C1=C(Cl)C=C(Cl)C(Cl)=C1

Canonical SMILES

O=C(OCCCC)COC1=CC=C(Cl)C=C1Cl.O=C(OCCCC)COC1=CC(Cl)=C(Cl)C=C1Cl

Other Names for this Substance

  • Acetic acid, (2,4-dichlorophenoxy)-, butyl ester, mixt. with butyl 2-(2,4,5-trichlorophenoxy)acetate
  • Acetic acid, (2,4-dichlorophenoxy)-, butyl ester, mixt. with butyl (2,4,5-trichlorophenoxy)acetate
  • Acetic acid, (2,4,5-trichlorophenoxy)-, butyl ester, mixt. contg.
  • 2,4-D Butyl ester-2,4,5-T butyl ester mixt.
  • Herbicide orange

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CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.